CID 90995

23892-48-0

Structural Information

Molecular Formula

C₂₀H₂₅ClN₂O

SMILES

CN(CCN1CCOCC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN2O/c1-22(11-12-23-13-15-24-16-14-23)20(17-5-3-2-4-6-17)18-7-9-19(21)10-8-18/h2-10,20H,11-16H2,1H3

InChIKey

OVLXBFCUWMLQLL-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)-phenylmethyl]-N-methyl-2-morpholin-4-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.16553 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	345.172806	184.3
[M+Na]+	367.154748	187.1
[M-H]-	343.158254	192.4
[M+NH4]+	362.199353	194.9
[M+K]+	383.128688	183.2
[M+H-H2O]+	327.162790	173.8
[M+HCOO]-	389.163731	197.3
[M+CH3COO]-	403.179381	193.0
[M+Na-2H]-	365.140196	186.3
[M]+	344.16498142	183.5
[M]-	344.16607858	183.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.